⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23722359 | 0.89 | CTSL (0.55) | — | |
| SCHEMBL23722358 | 0.89 | CTNNB1 (0.50) | — | |
| SCHEMBL26494064 | 0.86 | — | — | |
| SCHEMBL26494057 | 0.85 | CTNNB1 (0.45) | — | |
| SCHEMBL26453476 | 0.85 | CTSL (0.47) | — | |
| SCHEMBL26494072 | 0.85 | CTSL (0.43) | — | |
| SCHEMBL24690765 | 0.84 | CTSL (0.61) | — | |
| SCHEMBL24961046 | 0.84 | CTSL (0.61) | — | |
| SCHEMBL23711795 | 0.83 | F2R (0.52) | — | |
| SCHEMBL24961224 | 0.83 | CTSL (0.52) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230138310-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | FRONTIER BIOTECHNOLOGIES INC. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-20230138310-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | FRONTIER BIOTECHNOLOGIES INC. (CN) | 2023-05-04 | — | — | US | disclosed |
| EP-4098653-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-12-07 | — | — | EP | disclosed |
| WO-2021151265-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | 中国科学院上海药物研究所 | 2021-08-05 | — | — | WO | disclosed |